N-tert-butyl-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide

C13H16FN3O2 — CID 5333344

IUPACN-tert-butyl-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide
SMILESCC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C13H16FN3O2/c1-13(2,3)16-11(18)12(19)17-15-8-9-4-6-10(14)7-5-9/h4-8H,1-3H3,(H,16,18)(H,17,19)/b15-8+
InChIKeyUEODEXSERAXGRL-OVCLIPMQSA-N
MW265.29 g/mol
LogP1.19
Rot. Bonds2

About N-tert-butyl-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide

N-tert-butyl-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide (PubChem CID 5333344) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is N-tert-butyl-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-tert-butyl-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide
PubChem CID5333344
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC NameN-tert-butyl-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide
SMILESCC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C13H16FN3O2/c1-13(2,3)16-11(18)12(19)17-15-8-9-4-6-10(14)7-5-9/h4-8H,1-3H3,(H,16,18)(H,17,19)/b15-8+
InChIKeyUEODEXSERAXGRL-OVCLIPMQSA-N
XLogP1.19
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide?
The IUPAC name of N-tert-butyl-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide (CID 5333344) is N-tert-butyl-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-tert-butyl-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-tert-butyl-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide is CC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(F)cc1.
What is the InChIKey of N-tert-butyl-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide?
The InChIKey is UEODEXSERAXGRL-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-13(2,3)16-11(18)12(19)17-15-8-9-4-6-10(14)7-5-9/h4-8H,1-3H3,(H,16,18)(H,17,19)/b15-8+.
What are the key properties of N-tert-butyl-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide?
N-tert-butyl-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide has a molecular weight of 265.29 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 5333344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).